Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9959313 | 0.94 | KCNA5 (0.48) | KCNA5SMN1; SMN2ALDH1A1LMNAMEN1 | |
| SCHEMBL9958824 | 0.90 | ALDH1A1 (0.44) | KCNA5SMN1; SMN2ALDH1A1LMNAMEN1 | |
| SCHEMBL9959606 | 0.86 | NPC1 (0.52) | PKMSMN1; SMN2ALDH1A1MAPTKMT2A | |
| SCHEMBL10153642 | 0.84 | KCNA5 (0.42) | KCNA5CYP2C19SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL10153971 | 0.83 | POLB (0.50) | KCNA5SMN1; SMN2ALDH1A1HTTMEN1 | |
| SCHEMBL9959297 | 0.82 | HDAC4 (0.49) | KCNA5CYP2C9ALDH1A1MEN1MAPT | |
| SCHEMBL9958882 | 0.82 | KMT2A (0.46) | KCNA5SMN1; SMN2ALDH1A1LMNAMEN1 | |
| SCHEMBL10154072 | 0.82 | MAPT (0.52) | SMN1; SMN2ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL10153706 | 0.82 | PRMT5 (0.43) | SMN1; SMN2ALDH1A1LMNAMEN1MAPT | |
| SCHEMBL10154063 | 0.82 | KMT2A (0.47) | KCNA5SMN1; SMN2ALDH1A1LMNAMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |